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18207-18-6

18207-18-6 | HEPTANE, 2-BROMO-1,1-DIMETHOXY-

CAS No: 18207-18-6 Catalog No: AG0023CP MDL No:

Product Description

Catalog Number:
AG0023CP
Chemical Name:
HEPTANE, 2-BROMO-1,1-DIMETHOXY-
CAS Number:
18207-18-6
Molecular Formula:
C9H19BrO2
Molecular Weight:
239.1500
IUPAC Name:
2-bromo-1,1-dimethoxyheptane
InChI:
InChI=1S/C9H19BrO2/c1-4-5-6-7-8(10)9(11-2)12-3/h8-9H,4-7H2,1-3H3
InChI Key:
PMULERAPXGEXHE-UHFFFAOYSA-N
SMILES:
CCCCCC(C(OC)OC)Br

Properties

Complexity:
94.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.057g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.153g/mol
Monoisotopic Mass:
238.057g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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